2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)cinchoninamide Formula: C22H22ClN4OS+ MolecularWeight: 425.95428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN4OS/c1-26-10-12-27(13-11-26)22(29)25-21(28)17-14-20(16-7-2-4-8-18(16)23)24-19-9-5-3-6-15(17)19/h2-9,14H,10-13H2,1H3,(H,25,28,29)/p+1